2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone

C14H7BrClF3O — CID 123183596

IUPAC2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Br)c1c(F)ccc(F)c1F
InChIInChI=1S/C14H7BrClF3O/c15-9-2-1-8(16)5-7(9)6-12(20)13-10(17)3-4-11(18)14(13)19/h1-5H,6H2
InChIKeyQLPXCHKBVBQETO-UHFFFAOYSA-N
MW363.56 g/mol
LogP4.95
Rot. Bonds3

About 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone

2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone (PubChem CID 123183596) has the molecular formula C14H7BrClF3O and a molecular weight of 363.56 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone
PubChem CID123183596
Molecular FormulaC14H7BrClF3O
Molecular Weight363.56 g/mol
Exact Mass361.93
IUPAC Name2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Br)c1c(F)ccc(F)c1F
InChIInChI=1S/C14H7BrClF3O/c15-9-2-1-8(16)5-7(9)6-12(20)13-10(17)3-4-11(18)14(13)19/h1-5H,6H2
InChIKeyQLPXCHKBVBQETO-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.56
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-5-chlorophenyl)-1-(4-chloro-2-fluoro-6-hydroxyphenyl)ethanone;2-[2-(2-bromo-5-chlorophenyl)ethanimidoyl]-5-chloro-3-fluorophenol
CID 158829107
1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 107538110
1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 106941686
1-(3-bromo-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 106941670
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
1-(3-bromo-2,6-difluorophenyl)-2-pyridin-2-ylethanone
CID 106941653
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone (CID 123183596) is 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone is O=C(Cc1cc(Cl)ccc1Br)c1c(F)ccc(F)c1F.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone?
The InChIKey is QLPXCHKBVBQETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF3O/c15-9-2-1-8(16)5-7(9)6-12(20)13-10(17)3-4-11(18)14(13)19/h1-5H,6H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone?
2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone has a molecular weight of 363.56 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-1-(2,3,6-trifluorophenyl)ethanone is sourced from PubChem (CID 123183596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).